2-[2-(1,3-benzothiazol-2-yl)-4-(3-methylbutanoylamino)phenoxy]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)-4-(3-methylbutanoylamino)phenoxy]ethanoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)-4-(3-methylbutanoylamino)phenoxy]acetic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-4-[(3-methyl-1-oxobutyl)amino]phenoxy]acetic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-4-(3-methylbutanoylamino)phenoxy]acetic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)-4-(isovalerylamino)phenoxy]acetic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)OCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)OCC(=O)O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O4S/c1-12(2)9-18(23)21-13-7-8-16(26-11-19(24)25)14(10-13)20-22-15-5-3-4-6-17(15)27-20/h3-8,10,12H,9,11H2,1-2H3,(H,21,23)(H,24,25)